6,7-difluoro-2-(2-methylsulfanylphenyl)-3H-quinazolin-4-one

C15H10F2N2OS — CID 163404507

IUPAC6,7-difluoro-2-(2-methylsulfanylphenyl)-3H-quinazolin-4-one
SMILESCSc1ccccc1-c1nc2cc(F)c(F)cc2c(=O)[nH]1
InChIInChI=1S/C15H10F2N2OS/c1-21-13-5-3-2-4-8(13)14-18-12-7-11(17)10(16)6-9(12)15(20)19-14/h2-7H,1H3,(H,18,19,20)
InChIKeyYUEHYOWHYQMBIQ-UHFFFAOYSA-N
MW304.32 g/mol
LogP3.59
Rot. Bonds2

About 6,7-difluoro-2-(2-methylsulfanylphenyl)-3H-quinazolin-4-one

6,7-difluoro-2-(2-methylsulfanylphenyl)-3H-quinazolin-4-one (PubChem CID 163404507) has the molecular formula C15H10F2N2OS and a molecular weight of 304.32 g/mol. Its IUPAC name is 6,7-difluoro-2-(2-methylsulfanylphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6,7-difluoro-2-(2-methylsulfanylphenyl)-3H-quinazolin-4-one
PubChem CID163404507
Molecular FormulaC15H10F2N2OS
Molecular Weight304.32 g/mol
Exact Mass304.05
IUPAC Name6,7-difluoro-2-(2-methylsulfanylphenyl)-3H-quinazolin-4-one
SMILESCSc1ccccc1-c1nc2cc(F)c(F)cc2c(=O)[nH]1
InChIInChI=1S/C15H10F2N2OS/c1-21-13-5-3-2-4-8(13)14-18-12-7-11(17)10(16)6-9(12)15(20)19-14/h2-7H,1H3,(H,18,19,20)
InChIKeyYUEHYOWHYQMBIQ-UHFFFAOYSA-N
XLogP3.59
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenyl)-6,7-difluoro-3H-quinazolin-4-one
CID 163404458
2-(4-bromophenyl)-6,7-difluoro-3H-quinazolin-4-one
CID 163404435
6,7-difluoro-2-(4-methoxy-2,5-dimethylphenyl)-3H-quinazolin-4-one
CID 163404460
6,7-difluoro-2-methyl-3H-quinazolin-4-one
CID 135742282
6,7-difluoro-2-thiophen-3-yl-3H-quinazolin-4-one
CID 163404502
2-(2-methylsulfanylphenyl)-3H-benzimidazole-5-carboxylic acid
CID 79217746
2-[5-(bromomethyl)-2-fluorophenyl]-3H-quinazolin-4-one
CID 168553251
7-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-fluoro-2-naphthalen-1-yl-3H-quinazolin-4-one
CID 163404396
2-[2-(3-methoxyphenyl)sulfanylphenyl]-3H-quinazolin-4-one
CID 168553348
7-[3-[4-(3-aminopropylamino)butylamino]propylamino]-2-(2-chlorophenyl)-6-fluoro-3H-quinazolin-4-one
CID 163404364
2-(2-fluoro-4-methylsulfonylphenyl)-3H-quinazolin-4-one
CID 168553310
CID 89308092
CID 89308092

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-2-(2-methylsulfanylphenyl)-3H-quinazolin-4-one?
The IUPAC name of 6,7-difluoro-2-(2-methylsulfanylphenyl)-3H-quinazolin-4-one (CID 163404507) is 6,7-difluoro-2-(2-methylsulfanylphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 6,7-difluoro-2-(2-methylsulfanylphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 6,7-difluoro-2-(2-methylsulfanylphenyl)-3H-quinazolin-4-one is CSc1ccccc1-c1nc2cc(F)c(F)cc2c(=O)[nH]1.
What is the InChIKey of 6,7-difluoro-2-(2-methylsulfanylphenyl)-3H-quinazolin-4-one?
The InChIKey is YUEHYOWHYQMBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2OS/c1-21-13-5-3-2-4-8(13)14-18-12-7-11(17)10(16)6-9(12)15(20)19-14/h2-7H,1H3,(H,18,19,20).
What are the key properties of 6,7-difluoro-2-(2-methylsulfanylphenyl)-3H-quinazolin-4-one?
6,7-difluoro-2-(2-methylsulfanylphenyl)-3H-quinazolin-4-one has a molecular weight of 304.32 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-2-(2-methylsulfanylphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 163404507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).